4-chloro-2-(2-methylpropyl)-5-(2H-tetrazol-5-ylmethylamino)pyridazin-3-one

C10H14ClN7O — CID 114436460

IUPAC4-chloro-2-(2-methylpropyl)-5-(2H-tetrazol-5-ylmethylamino)pyridazin-3-one
SMILESCC(C)Cn1ncc(NCc2nn[nH]n2)c(Cl)c1=O
InChIInChI=1S/C10H14ClN7O/c1-6(2)5-18-10(19)9(11)7(3-13-18)12-4-8-14-16-17-15-8/h3,6,12H,4-5H2,1-2H3,(H,14,15,16,17)
InChIKeyUXCUQXUXXGDZOH-UHFFFAOYSA-N
MW283.72 g/mol
LogP0.68
Rot. Bonds5

About 4-chloro-2-(2-methylpropyl)-5-(2H-tetrazol-5-ylmethylamino)pyridazin-3-one

4-chloro-2-(2-methylpropyl)-5-(2H-tetrazol-5-ylmethylamino)pyridazin-3-one (PubChem CID 114436460) has the molecular formula C10H14ClN7O and a molecular weight of 283.72 g/mol. Its IUPAC name is 4-chloro-2-(2-methylpropyl)-5-(2H-tetrazol-5-ylmethylamino)pyridazin-3-one.

Molecular Properties

Compound Name4-chloro-2-(2-methylpropyl)-5-(2H-tetrazol-5-ylmethylamino)pyridazin-3-one
PubChem CID114436460
Molecular FormulaC10H14ClN7O
Molecular Weight283.72 g/mol
Exact Mass283.09
IUPAC Name4-chloro-2-(2-methylpropyl)-5-(2H-tetrazol-5-ylmethylamino)pyridazin-3-one
SMILESCC(C)Cn1ncc(NCc2nn[nH]n2)c(Cl)c1=O
InChIInChI=1S/C10H14ClN7O/c1-6(2)5-18-10(19)9(11)7(3-13-18)12-4-8-14-16-17-15-8/h3,6,12H,4-5H2,1-2H3,(H,14,15,16,17)
InChIKeyUXCUQXUXXGDZOH-UHFFFAOYSA-N
XLogP0.68
TPSA101.38 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.72
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-chloro-2-methyl-5-(2H-tetrazol-5-ylmethylamino)pyridazin-3-one
CID 115621009
4-chloro-5-(ethylamino)-2-(2-methylpropyl)pyridazin-3-one
CID 114431758
4-chloro-2-(2-methylpropyl)-5-[(5-methyl-1H-pyrazol-4-yl)methylamino]pyridazin-3-one
CID 114434295
4-chloro-5-[2-(ethylamino)ethylamino]-2-(2-methylpropyl)pyridazin-3-one
CID 114444576
4-chloro-5-(2-ethoxypropylamino)-2-(2-methylpropyl)pyridazin-3-one
CID 114442227
4-chloro-5-(3-fluoropropylamino)-2-(2-methylpropyl)pyridazin-3-one
CID 114266993
4-chloro-5-[(5-methyl-1,2-oxazol-3-yl)methylamino]-2-(2-methylpropyl)pyridazin-3-one
CID 114436371
4-chloro-5-[(2-methyl-3-methylsulfanylpropyl)amino]-2-(2-methylpropyl)pyridazin-3-one
CID 114438330
4-chloro-2-(2-methylpropyl)-5-[(2,2,3,3-tetramethylcyclopropyl)methylamino]pyridazin-3-one
CID 114440008
4-chloro-5-[(2,5-dimethylpyrrol-1-yl)amino]-2-(2-methylpropyl)pyridazin-3-one
CID 114439918
4-chloro-5-(4-hydroxypentylamino)-2-(2-methylpropyl)pyridazin-3-one
CID 106136715
N-[2-[[5-chloro-1-(2-methylpropyl)-6-oxopyridazin-4-yl]amino]ethyl]methanesulfonamide
CID 114433515

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(2-methylpropyl)-5-(2H-tetrazol-5-ylmethylamino)pyridazin-3-one?
The IUPAC name of 4-chloro-2-(2-methylpropyl)-5-(2H-tetrazol-5-ylmethylamino)pyridazin-3-one (CID 114436460) is 4-chloro-2-(2-methylpropyl)-5-(2H-tetrazol-5-ylmethylamino)pyridazin-3-one.
What is the SMILES notation for 4-chloro-2-(2-methylpropyl)-5-(2H-tetrazol-5-ylmethylamino)pyridazin-3-one?
The canonical SMILES for 4-chloro-2-(2-methylpropyl)-5-(2H-tetrazol-5-ylmethylamino)pyridazin-3-one is CC(C)Cn1ncc(NCc2nn[nH]n2)c(Cl)c1=O.
What is the InChIKey of 4-chloro-2-(2-methylpropyl)-5-(2H-tetrazol-5-ylmethylamino)pyridazin-3-one?
The InChIKey is UXCUQXUXXGDZOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN7O/c1-6(2)5-18-10(19)9(11)7(3-13-18)12-4-8-14-16-17-15-8/h3,6,12H,4-5H2,1-2H3,(H,14,15,16,17).
What are the key properties of 4-chloro-2-(2-methylpropyl)-5-(2H-tetrazol-5-ylmethylamino)pyridazin-3-one?
4-chloro-2-(2-methylpropyl)-5-(2H-tetrazol-5-ylmethylamino)pyridazin-3-one has a molecular weight of 283.72 g/mol, XLogP of 0.68, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(2-methylpropyl)-5-(2H-tetrazol-5-ylmethylamino)pyridazin-3-one is sourced from PubChem (CID 114436460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).